2-[(2-phenylsulfanylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one

C16H13N3OS2 — CID 168576327

IUPAC2-[(2-phenylsulfanylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1CSC(=NN=Cc2ccccc2Sc2ccccc2)N1
InChIInChI=1S/C16H13N3OS2/c20-15-11-21-16(18-15)19-17-10-12-6-4-5-9-14(12)22-13-7-2-1-3-8-13/h1-10H,11H2,(H,18,19,20)
InChIKeyWVAWJJGUUUSTSM-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.39
Rot. Bonds4

About 2-[(2-phenylsulfanylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one

2-[(2-phenylsulfanylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 168576327) has the molecular formula C16H13N3OS2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 2-[(2-phenylsulfanylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[(2-phenylsulfanylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID168576327
Molecular FormulaC16H13N3OS2
Molecular Weight327.43 g/mol
Exact Mass327.05
IUPAC Name2-[(2-phenylsulfanylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1CSC(=NN=Cc2ccccc2Sc2ccccc2)N1
InChIInChI=1S/C16H13N3OS2/c20-15-11-21-16(18-15)19-17-10-12-6-4-5-9-14(12)22-13-7-2-1-3-8-13/h1-10H,11H2,(H,18,19,20)
InChIKeyWVAWJJGUUUSTSM-UHFFFAOYSA-N
XLogP3.39
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Benzaldehyde, (4,5-dihydro-5-methyl-4-oxo-2-thiazolyl)hydrazone
CID 135438845
(2E)-2-[(E)-(4-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135536623
(2E)-2-{(2E)-[(2E)-3-phenylprop-2-en-1-ylidene]hydrazinylidene}-1,3-thiazolidin-4-one
CID 135628899
4-Fluorobenzaldehyde (4-oxo-4,5-dihydro-1,3-thiazol-2-YL)hydrazone
CID 135631924
(2E)-2-[(E)-(3-fluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 136066072
(2E)-5-methyl-2-[(E)-2-(4-methylphenyl)sulfanylethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 136203718
(2Z)-2,20(Z)-(1,4-Phenylenebis(methane-1-yl-ylidene))bis(hydrazine-2,1-diylidene))dithiazolidin-4-one (14)
CID 136064560
(2Z)-5-methyl-2-[(E)-3-(4-methylphenyl)sulfanylpropylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 136035726
(2Z)-2-[(Z)-3-phenylsulfanylpropylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 136180662
(E)-5-allyl-2-((E)-benzylidenehydrazono)thiazolidin-4-one
CID 135599583
(2E)-2-[(2E)-2-(phenylmethylidene)hydrazin-1-ylidene]-1,3-thiazolidin-4-one
CID 135533131
(2E)-2-[(Z)-benzylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135925060

Frequently Asked Questions

What is the IUPAC name of 2-[(2-phenylsulfanylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of 2-[(2-phenylsulfanylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 168576327) is 2-[(2-phenylsulfanylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[(2-phenylsulfanylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[(2-phenylsulfanylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is O=C1CSC(=NN=Cc2ccccc2Sc2ccccc2)N1.
What is the InChIKey of 2-[(2-phenylsulfanylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is WVAWJJGUUUSTSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3OS2/c20-15-11-21-16(18-15)19-17-10-12-6-4-5-9-14(12)22-13-7-2-1-3-8-13/h1-10H,11H2,(H,18,19,20).
What are the key properties of 2-[(2-phenylsulfanylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
2-[(2-phenylsulfanylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 327.43 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-phenylsulfanylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 168576327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).